N,N-diethyl-1,2-benzoxazol-6-amine

C11H14N2O — CID 10821519

IUPACN,N-diethyl-1,2-benzoxazol-6-amine
SMILESCCN(CC)c1ccc2cnoc2c1
InChIInChI=1S/C11H14N2O/c1-3-13(4-2)10-6-5-9-8-12-14-11(9)7-10/h5-8H,3-4H2,1-2H3
InChIKeySIJINTKNDJBLTF-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.67
Rot. Bonds3

About N,N-diethyl-1,2-benzoxazol-6-amine

N,N-diethyl-1,2-benzoxazol-6-amine (PubChem CID 10821519) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N,N-diethyl-1,2-benzoxazol-6-amine.

Molecular Properties

Compound NameN,N-diethyl-1,2-benzoxazol-6-amine
PubChem CID10821519
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN,N-diethyl-1,2-benzoxazol-6-amine
SMILESCCN(CC)c1ccc2cnoc2c1
InChIInChI=1S/C11H14N2O/c1-3-13(4-2)10-6-5-9-8-12-14-11(9)7-10/h5-8H,3-4H2,1-2H3
InChIKeySIJINTKNDJBLTF-UHFFFAOYSA-N
XLogP2.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2-benzoxazol-6-amine?
The IUPAC name of N,N-diethyl-1,2-benzoxazol-6-amine (CID 10821519) is N,N-diethyl-1,2-benzoxazol-6-amine.
What is the SMILES notation for N,N-diethyl-1,2-benzoxazol-6-amine?
The canonical SMILES for N,N-diethyl-1,2-benzoxazol-6-amine is CCN(CC)c1ccc2cnoc2c1.
What is the InChIKey of N,N-diethyl-1,2-benzoxazol-6-amine?
The InChIKey is SIJINTKNDJBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-13(4-2)10-6-5-9-8-12-14-11(9)7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,2-benzoxazol-6-amine?
N,N-diethyl-1,2-benzoxazol-6-amine has a molecular weight of 190.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2-benzoxazol-6-amine is sourced from PubChem (CID 10821519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).